N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide

C22H30N4O3 — CID 121161062

IUPACN-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-4-5-14-28-19-8-6-18(7-9-19)25-22(27)26-12-10-20(11-13-26)29-21-15-16(2)23-17(3)24-21/h6-9,15,20H,4-5,10-14H2,1-3H3,(H,25,27)
InChIKeyDAZYPYQNOVHQEM-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.35
Rot. Bonds7

About N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide

N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 121161062) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID121161062
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1
InChIInChI=1S/C22H30N4O3/c1-4-5-14-28-19-8-6-18(7-9-19)25-22(27)26-12-10-20(11-13-26)29-21-15-16(2)23-17(3)24-21/h6-9,15,20H,4-5,10-14H2,1-3H3,(H,25,27)
InChIKeyDAZYPYQNOVHQEM-UHFFFAOYSA-N
XLogP4.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162767
N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161054
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121017939
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121161053
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
N-(4-ethoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638864
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162726

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 121161062) is N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide is CCCCOc1ccc(NC(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is DAZYPYQNOVHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-5-14-28-19-8-6-18(7-9-19)25-22(27)26-12-10-20(11-13-26)29-21-15-16(2)23-17(3)24-21/h6-9,15,20H,4-5,10-14H2,1-3H3,(H,25,27).
What are the key properties of N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 121161062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).